Crystallography Open Database

Information card for entry 7063434

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Coordinates	7063434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H41 N2 O P
Calculated formula	C41 H41 N2 O P
Title of publication	Diastereoselective dearomative bifunctionalization of isoquinolinium salts to access bridged tetrahydroisoquinolines
Authors of publication	Pei, Jiaqi; Tang, Tiantian; Zhang, Jianing; Qin, Yun-Long; Cheng, Pengfei; Wang, Qi-Lin
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	11.0596 ± 0.0007 Å
b	11.2945 ± 0.0008 Å
c	15.3318 ± 0.0009 Å
α	111.6 ± 0.006°
β	93.776 ± 0.005°
γ	104.186 ± 0.006°
Cell volume	1700.3 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.198
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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